2-(2,6-dioxopiperidin-3-yl)-6-[2-[2-[3-fluoro-4-[(1S,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-2,8-diazaspiro[4.5]decan-8-yl]acetyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione

C47H46FN5O6 — CID 171719989

About 2-(2,6-dioxopiperidin-3-yl)-6-[2-[2-[3-fluoro-4-[(1S,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-2,8-diazaspiro[4.5]decan-8-yl]acetyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-6-[2-[2-[3-fluoro-4-[(1S,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-2,8-diazaspiro[4.5]decan-8-yl]acetyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione (PubChem CID 171719989) has the molecular formula C47H46FN5O6 and a molecular weight of 795.91 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-6-[2-[2-[3-fluoro-4-[(1S,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-2,8-diazaspiro[4.5]decan-8-yl]acetyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione.

Molecular Properties

• Compound Name: 2-(2,6-dioxopiperidin-3-yl)-6-[2-[2-[3-fluoro-4-[(1S,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-2,8-diazaspiro[4.5]decan-8-yl]acetyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione
• PubChem CID: 171719989
• Molecular Formula: C47H46FN5O6
• Molecular Weight: 795.91 g/mol
• Exact Mass: 795.34
• IUPAC Name: 2-(2,6-dioxopiperidin-3-yl)-6-[2-[2-[3-fluoro-4-[(1S,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-2,8-diazaspiro[4.5]decan-8-yl]acetyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione
• SMILES: O=C1CCC(N2C(=O)c3cc4c(cc3C2=O)CN(C(=O)CN2CCC3(CC2)CCN(c2ccc([C@@H]5c6ccc(O)cc6CC[C@@H]5c5ccccc5)c(F)c2)C3)C4)C(=O)N1
• InChI: InChI=1S/C47H46FN5O6/c48-39-23-32(7-10-36(39)43-34(28-4-2-1-3-5-28)9-6-29-20-33(54)8-11-35(29)43)51-19-16-47(27-51)14-17-50(18-15-47)26-42(56)52-24-30-21-37-38(22-31(30)25-52)46(59)53(45(37)58)40-12-13-41(55)49-44(40)57/h1-5,7-8,10-11,20-23,34,40,43,54H,6,9,12-19,24-27H2,(H,49,55,57)/t34-,40?,43+/m1/s1
• InChIKey: OQPSSFNIDOUXPT-UUXNOZDQSA-N
• XLogP: 5.63
• TPSA: 130.57 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	795.91
LogP ≤ 5	5.63
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-6-[2-[2-[3-fluoro-4-[(1S,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-2,8-diazaspiro[4.5]decan-8-yl]acetyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione?

The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-6-[2-[2-[3-fluoro-4-[(1S,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-2,8-diazaspiro[4.5]decan-8-yl]acetyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione (CID 171719989) is 2-(2,6-dioxopiperidin-3-yl)-6-[2-[2-[3-fluoro-4-[(1S,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-2,8-diazaspiro[4.5]decan-8-yl]acetyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione.

What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-6-[2-[2-[3-fluoro-4-[(1S,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-2,8-diazaspiro[4.5]decan-8-yl]acetyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione?

The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-6-[2-[2-[3-fluoro-4-[(1S,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-2,8-diazaspiro[4.5]decan-8-yl]acetyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione is O=C1CCC(N2C(=O)c3cc4c(cc3C2=O)CN(C(=O)CN2CCC3(CC2)CCN(c2ccc([C@@H]5c6ccc(O)cc6CC[C@@H]5c5ccccc5)c(F)c2)C3)C4)C(=O)N1.

What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-6-[2-[2-[3-fluoro-4-[(1S,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-2,8-diazaspiro[4.5]decan-8-yl]acetyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione?

The InChIKey is OQPSSFNIDOUXPT-UUXNOZDQSA-N. The full InChI is InChI=1S/C47H46FN5O6/c48-39-23-32(7-10-36(39)43-34(28-4-2-1-3-5-28)9-6-29-20-33(54)8-11-35(29)43)51-19-16-47(27-51)14-17-50(18-15-47)26-42(56)52-24-30-21-37-38(22-31(30)25-52)46(59)53(45(37)58)40-12-13-41(55)49-44(40)57/h1-5,7-8,10-11,20-23,34,40,43,54H,6,9,12-19,24-27H2,(H,49,55,57)/t34-,40?,43+/m1/s1.

What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-6-[2-[2-[3-fluoro-4-[(1S,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-2,8-diazaspiro[4.5]decan-8-yl]acetyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione?

2-(2,6-dioxopiperidin-3-yl)-6-[2-[2-[3-fluoro-4-[(1S,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-2,8-diazaspiro[4.5]decan-8-yl]acetyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione has a molecular weight of 795.91 g/mol, XLogP of 5.63, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,6-dioxopiperidin-3-yl)-6-[2-[2-[3-fluoro-4-[(1S,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-2,8-diazaspiro[4.5]decan-8-yl]acetyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione is sourced from PubChem (CID 171719989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).